Dear all,
For a truly reliable result I think I would opt for a different experimental method. One of the XAS methods would probably give better percentage splits and much better bond lengths as well.
Good luck
Darren
On 8 Mar 2016, at 18:07, Almudena Ponce Salvatierra <[log in to unmask]> wrote:
Dear all,
I'm working with two small proteins that require metal ions as cofactors. I have data at 2 Angstroms for both of them.
I would like to determine how much of the protein has its cofactor in a pentacoordinated state and how much of it has it hexacoordinated. If this is possible.
I... don't really know where to start. The first thing that came into my mind was to refine the occupancy of the coordinated residues/waters and try to figure it out from there. However this is something I've never done before and I would like to have input and advice if any of you are familiar with this question.
Thank you very much in advance.
Best wishes,
Almudena
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Almudena Ponce-Salvatierra
Macromolecular crystallography and Nucleic acid chemistry
Max Planck Institute for Biophysical Chemistry
Am Fassberg 11 37077 Göttingen
Germany
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